2-(4-pyridin-4-yl-3-sulfanyl-butyl)pentanedioic acid

Systemtic Name: 2-(4-pyridin-4-yl-3-sulfanyl-butyl)pentanedioic acid Openeye Name: 2-[4-(4-pyridyl)-3-sulfanyl-butyl]pentanedioic acid CAS Name: 2-(3-mercapto-4-pyridin-4-ylbutyl)pentanedioic acid IUPAC Name: 2-(4-pyridin-4-yl-3-sulfanylbutyl)pentanedioic acid Traditional Name: 2-[3-mercapto-4-(4-pyridyl)butyl]glutaric acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CC(CCC(CCC(=O)O)C(=O)O)S

Isomeric SMILES

C1=CN=CC=C1CC(CCC(CCC(=O)O)C(=O)O)S

InChI

InChI=1S/C14H19NO4S/c16-13(17)4-2-11(14(18)19)1-3-12(20)9-10-5-7-15-8-6-10/h5-8,11-12,20H,1-4,9H2,(H,16,17)(H,18,19)